SCHEMBL3655183

SCHEMBL3655183

CC(C)(C(=O)Nc1nc(-c2cccs2)cs1)S(=O)(=O)N1CCC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 9/20 0.59
ALDH1A1 P00352 9/20 0.59
MAPT P10636 9/20 0.59
HSD17B10 Q99714 8/20 0.59
KDM4E B2RXH2 8/20 0.59
USP2 O75604 6/20 0.59
MAPK1 P28482 6/20 0.59
MEN1 O00255 11/20 0.58
KMT2A Q03164 11/20 0.58
SMN1; SMN2 Q16637 10/20 0.58
HPGD P15428 4/20 0.58
ALOX15 P16050 1/20 0.58
ALOX12 P18054 1/20 0.58
NPC1 O15118 4/20 0.56
HTT P42858 5/20 0.55
RAB9A P51151 4/20 0.55
NPSR1 Q6W5P4 1/20 0.55
POLB P06746 1/20 0.55
TSHR P16473 4/20 0.49
STAT3 P40763 1/20 0.49

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3662329 0.85 ROCK1 (0.50) LMNAALDH1A1MAPTHSD17B10KDM4E
SCHEMBL3659111 0.82 NPC1 (0.59) LMNAALDH1A1MAPTHSD17B10KDM4E
SCHEMBL3658990 0.82 LMNA (0.53) LMNAALDH1A1MAPTHSD17B10KDM4E
SCHEMBL3661597 0.81 ABL1 (0.56) LMNAALDH1A1MAPTHSD17B10KDM4E
SCHEMBL3659482 0.81 KMT2A (0.52) LMNAALDH1A1MAPTHSD17B10KDM4E
SCHEMBL3658445 0.80 SMN1; SMN2 (0.41) LMNAALDH1A1MAPTHSD17B10KDM4E
SCHEMBL13015638 0.79 NPC1 (0.72) LMNAALDH1A1MAPTHSD17B10KDM4E
SCHEMBL3659515 0.79 ATAD2 (0.53) LMNAALDH1A1MAPTHSD17B10KDM4E
SCHEMBL3784705 0.78 ADORA1 (0.64) LMNAALDH1A1MAPTHSD17B10KDM4E
SCHEMBL18588880 0.78 KDM4E (0.57) LMNAALDH1A1MAPTHSD17B10KDM4E

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8546563-B2 Compounds which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-10-01 US claimed
EP-2217565-B1 COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INT (DE) 2013-05-22 EP claimed
US-20100331304-A1 Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-12-30 US claimed
EP-2217565-A1 COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR Boehringer Ingelheim International GmbH (DE) 2010-08-18 EP claimed
WO-2009061652-A1 COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-05-14 WO claimed
US-20170066759-A1 AROMATIC 5-MEMBERED HETEROCYCLIC DERIVATIVE HAVING TRPV4-INHIBITING ACTIVITY SHIONOGI & CO (JP) 2017-03-09 US disclosed
EP-2832731-A1 AROMATIC HETEROCYCLIC FIVE-MEMBERED RING DERIVATIVE HAVING TRPV4 INHIBITORY ACTIVITY Shionogi & Co., Ltd. (JP) 2015-02-04 EP disclosed
US-8546563-B2 Compounds which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-10-01 US disclosed
US-8546563-B2 Compounds which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-10-01 US disclosed
US-8546563-B2 Compounds which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-10-01 US disclosed
EP-2217565-B1 COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INT (DE) 2013-05-22 EP disclosed
US-20100331304-A1 Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-12-30 US disclosed
US-20100331304-A1 Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-12-30 US disclosed
US-20100331304-A1 Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-12-30 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20170066759-A1 AROMATIC 5-MEMBERED HETEROCYCLIC DERIVATIVE HAVING TRPV4-INHIBITING ACTIVITY TRPV4, TRPC4, TRPV2 LMNA 2584/4885ALDH1A1 3709/4885MAPT 4306/4885
US-20100331304-A1 Compounds Which Modulate The CB2 Receptor CNR2, CNR1, OPRL1 LMNA 4481/4885ALDH1A1 1785/4885MAPT 3638/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.